Benzene

Benzene

SCHEMBL6405642

C(=CN(c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
RELA Q04206 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.45
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NFE2L2 Q16236 2/20 0.41
CYP19A1 P11511 2/20 0.41
MAOA P21397 2/20 0.41
TRPA1 O75762 2/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4444201 1.00 MAOB (0.48) MAOBRELATRPM8ALDH1A1LMNA
SCHEMBL988301 1.00 MAOB (0.48) MAOBRELATRPM8ALDH1A1LMNA
SCHEMBL27986727 0.87 RELA (0.45) MAOBRELATRPM8ALDH1A1LMNA
SCHEMBL1568910 0.86 RELA (0.41) MAOBRELATRPM8ALDH1A1TRPA1
SCHEMBL30561199 0.85 CYP1B1 (0.41) MAOBRELATRPM8ALDH1A1LMNA
SCHEMBL2492787 0.85 TRPM8 (0.53) RELATRPM8ALDH1A1LMNANFE2L2
SCHEMBL30561206 0.85 ALDH1A1 (0.50) MAOBRELATRPM8ALDH1A1LMNA
SCHEMBL17255707 0.85 TRPM8 (0.53) RELATRPM8ALDH1A1LMNANFE2L2
SCHEMBL30561197 0.85 NFE2L2 (0.59) MAOBRELAALDH1A1NFE2L2MAOA
SCHEMBL3282954 0.85 RELA (0.48) MAOBRELATRPM8ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104221179-B Organic electronic device substrate 乐金显示有限公司 2017-03-01 CN disclosed
US-20050146266-A1 Organic el display and its production method IDEMITSU KOSAN CO., LTD. (JP) 2005-07-07 US disclosed
EP-1476000-A1 ORGANIC EL DISPLAY AND ITS PRODUCTION METHOD IDEMITSU KOSAN CO., LTD. (JP) 2004-11-10 EP disclosed